Geometry & MOs

Info

ID:	89621
PubChem CID:	49963131
Reduced:	NOH13C15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	269.105193
ΔH_f, kcal/mol:	23.45
Dipole, Da:	3.68
IP(EA), eV:	-9.56(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,4-dimethoxyphenyl)-hydroxymethyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(C2=CC=C(C=C2)C#N)O

DOS

IR

Vibrations